Molecular dynamics of oligopeptides 6. A comparative study of poincare cross-section of monopeptide frames in media with different hydrophobicity
Tereshkina, K.B.; Shaĭtan, K.V.; Levtsova, O.V.; Golik, D.N.
Biofizika 50(6): 974-985
2005
ISSN/ISBN: 0006-3029 PMID: 16358774 Document Number: 591592
A comparative study of the molecular dynamics of natural amino acid residues and their closest homologues and isomers was carried out. Molecular dynamics protocols not interfering with the principle of equidistribution of energy with respect to degrees of freedom were used. Poincare cross-sections, auto- and cross-correlation of complex exponential curves as a function of dihedrons were considered. The classification of dynamic properties of conformational degrees of freedom in the series of amino acid residues was carried out.